4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile

C16H17N3 — CID 63884612

IUPAC4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile
SMILESCc1cc(C)cc(N(C)Cc2ccnc(C#N)c2)c1
InChIInChI=1S/C16H17N3/c1-12-6-13(2)8-16(7-12)19(3)11-14-4-5-18-15(9-14)10-17/h4-9H,11H2,1-3H3
InChIKeyGLBMTWASDAKUJM-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.21
Rot. Bonds3

About 4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile

4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile (PubChem CID 63884612) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile
PubChem CID63884612
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile
SMILESCc1cc(C)cc(N(C)Cc2ccnc(C#N)c2)c1
InChIInChI=1S/C16H17N3/c1-12-6-13(2)8-16(7-12)19(3)11-14-4-5-18-15(9-14)10-17/h4-9H,11H2,1-3H3
InChIKeyGLBMTWASDAKUJM-UHFFFAOYSA-N
XLogP3.21
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62925132
4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63884796
4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile
CID 63881172
4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 63883628
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 63886160
4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 63883829
4-[methyl-[(2-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62491987
4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63885383
4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile
CID 63886343
4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 63884216
2-[(2-cyano-4-pyridinyl)methyl-methylamino]propanoic acid
CID 63883137
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]pyridine-2-carbonitrile
CID 63880581

Frequently Asked Questions

What is the IUPAC name of 4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile (CID 63884612) is 4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile is Cc1cc(C)cc(N(C)Cc2ccnc(C#N)c2)c1.
What is the InChIKey of 4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile?
The InChIKey is GLBMTWASDAKUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-6-13(2)8-16(7-12)19(3)11-14-4-5-18-15(9-14)10-17/h4-9H,11H2,1-3H3.
What are the key properties of 4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile?
4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63884612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).